InCHi String:
InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
canonical SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
isomeric SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C
PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
PUBCHEM iupac TRADITIONAL NAME(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid
PubChem Substance (SID):
111677824 6705 7850891PubChem Compound (CID):
9903KEGG: Compound ID
C03990CAS Registry IDs: 434-13-9
PDB Chemical Component
4OAMiscellaneous Databases and IDs:
Sigma-Aldrich L6250_SIGMA
ChEBI CHEBI:16325 EPA DSSTox 33611
LipidMAPS LMST04010003
HSDB 4113
ChemIDplus 000434139
EINECS 207-099-1
CCRIS 363
Beilstein Handbook Reference 4-10-00-00785
MMCD cq_02342
MDL MFCD00003682
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
